6-methyl-2H-1,2,4-triazine-3,5-dione

C8H10N6O4 — CID 158950829

IUPAC6-methyl-2H-1,2,4-triazine-3,5-dione
SMILESCc1n[nH]c(=O)[nH]c1=O.Cc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/2C4H5N3O2/c2*1-2-3(8)5-4(9)7-6-2/h2*1H3,(H2,5,7,8,9)
InChIKeyJLKFHJZMSXGQKJ-UHFFFAOYSA-N
MW254.21 g/mol
LogP-2.47
Rot. Bonds

About 6-methyl-2H-1,2,4-triazine-3,5-dione

6-methyl-2H-1,2,4-triazine-3,5-dione (PubChem CID 158950829) has the molecular formula C8H10N6O4 and a molecular weight of 254.21 g/mol. Its IUPAC name is 6-methyl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-methyl-2H-1,2,4-triazine-3,5-dione
PubChem CID158950829
Molecular FormulaC8H10N6O4
Molecular Weight254.21 g/mol
Exact Mass254.08
IUPAC Name6-methyl-2H-1,2,4-triazine-3,5-dione
SMILESCc1n[nH]c(=O)[nH]c1=O.Cc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/2C4H5N3O2/c2*1-2-3(8)5-4(9)7-6-2/h2*1H3,(H2,5,7,8,9)
InChIKeyJLKFHJZMSXGQKJ-UHFFFAOYSA-N
XLogP-2.47
TPSA157.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-2.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-Azathymine
CID 70269
4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione
CID 11073521
6-Ethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 23273425
ethane;6-methyl-2H-1,2,4-triazine-3,5-dione
CID 155720358
1,6-dimethyl-2H-1,2,4-triazin-1-ium-3,5-dione
CID 10011988
6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride
CID 91900878

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-methyl-2H-1,2,4-triazine-3,5-dione (CID 158950829) is 6-methyl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-methyl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-methyl-2H-1,2,4-triazine-3,5-dione is Cc1n[nH]c(=O)[nH]c1=O.Cc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-methyl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is JLKFHJZMSXGQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N3O2/c2*1-2-3(8)5-4(9)7-6-2/h2*1H3,(H2,5,7,8,9).
What are the key properties of 6-methyl-2H-1,2,4-triazine-3,5-dione?
6-methyl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 254.21 g/mol, XLogP of -2.47, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 158950829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).